GL1X · GenesisL1 explorer

Ligand · L80

L80 · (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2, 2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino) quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol

L80, (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2, 2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino) quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol (C23 H23 Cl2 F3 N6 O2, 543.4 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
L80
Formula
C23 H23 Cl2 F3 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

L80 in 2 structures; the first of them:

  • 7SUI · Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 22 · L80 A301 · binds LEU15, GLY16, GLU17, VAL23, ALA36, MET84, GLU85, LEU86 and 10 more
  • 7SUI · Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 22 · L80 A301 · binds LEU15, GLY16, GLU17, VAL23, ALA36, MET84, GLU85, LEU86 and 9 more

Residues it binds most

GLY 2, LEU 2, ALA 2, GLU 2, ASN 2, ASP 2, HIS 2, LYS 2, MET 2, SER 2 (residue and the binding sites it lines).

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